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Information card for entry 2022777
Preview
| Coordinates | 2022777.cif |
|---|---|
| Structure factors | 2022777.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(4-Methoxynaphthalen-1-yl)-1-[(4-methoxynaphthalen-1-yl)methyl]-1<i>H</i>-benzo[<i>d</i>]imidazole ethanol monosolvate |
|---|---|
| Formula | C32 H30 N2 O3 |
| Calculated formula | C32 H30 N2 O3 |
| Title of publication | Synthesis and crystal structures of two 1H-benzo[d]imidazole derivatives: DFT and anticorrosion studies, and Hirshfeld surface analysis |
| Authors of publication | Ghichi, Nadir; Djedouani, Amel; Hannachid, Douniazed; Elhadi, Said Mohamed; Benboudiaf, Ali; Merazig, Hocine; Ouksel, Louiza; Hellal, Abdelkader; Stoeckli-Evans, Helen |
| Journal of publication | Acta Crystallographica Section C Structural Chemistry |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 7 |
| Pages of publication | 292 - 304 |
| a | 10.7065 ± 0.0003 Å |
| b | 10.9434 ± 0.0003 Å |
| c | 12.8256 ± 0.0004 Å |
| α | 69.029 ± 0.001° |
| β | 82.871 ± 0.001° |
| γ | 67.515 ± 0.001° |
| Cell volume | 1296.37 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0697 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1507 |
| Weighted residual factors for all reflections included in the refinement | 0.1616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284684 (current) | 2023-06-29 | cif/ hkl/ Adding structures of 2022776, 2022777 via cif-deposit CGI script. |
2022777.cif 2022777.hkl |
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Users of the data should acknowledge the original authors of the
structural data.